BDBM25903 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid::Bumetanide::Bumex::Burinex::Fordiuran::cid_2471

SMILES CCCCNc1cc(cc(c1Oc1ccccc1)S(N)(=O)=O)C(O)=O

InChI Key InChIKey=MAEIEVLCKWDQJH-UHFFFAOYSA-N

Data  13 KI  7 IC50  2 EC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 25903   

TargetAquaporin-4(Rat)
National University of Pharmacy

Curated by ChEMBL
LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of rat AQP4 water channel expressed in Xenopus laevis oocytes assessed as inhibition of AQP1-mediated osmotic swelling incubated for 1 to ...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetSolute carrier family 12 member 2(Human)
National University of Pharmacy

Curated by ChEMBL
LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataIC50: 1.54E+3nMAssay Description:Inhibition of NKCC1 in human HT-29 cells assessed as inhibition of rubidium uptake incubated for 20 min by atomic absorption spectroscopyMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataIC50: 5.26E+5nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataIC50: 1.35E+5nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataEC50:  0.0469nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataEC50:  1.08nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataKi:  21.1nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 9(Human)
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataKi:  25.8nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 7(Human)
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataKi:  62nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 5B, mitochondrial(Human)
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataKi:  159nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 14(Human)
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataKi:  250nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 4(Human)
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataKi:  303nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 5A, mitochondrial(Human)
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataKi:  700nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 13(Mouse)
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataKi:  2.57E+3nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 6(Human)
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataKi:  3.89E+3nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 1(Human)
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataKi:  4.93E+3nM ΔG°:  -7.24kcal/molepH: 7.4 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSolute carrier family 22 member 6(Rat)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataKi:  5.50E+3nMAssay Description:TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataKi:  6.98E+3nM ΔG°:  -7.03kcal/molepH: 7.4 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCarbonic anhydrase 3(Human)
Universita Degli Studi Di Firenze

LigandPNGBDBM25903(Fordiuran | Burinex | cid_2471 | 3-(butylamino)-4-...)
Affinity DataKi: >2.00E+5nM ΔG°: >-5.04kcal/molepH: 7.4 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed